N-[4-bromo-2-[(Z)-prop-1-enyl]phenyl]methanimine

C10H10BrN — CID 135128411

IUPACN-[4-bromo-2-[(Z)-prop-1-enyl]phenyl]methanimine
SMILESC=Nc1ccc(Br)cc1/C=C\C
InChIInChI=1S/C10H10BrN/c1-3-4-8-7-9(11)5-6-10(8)12-2/h3-7H,2H2,1H3/b4-3-
InChIKeyBQGZPPGQHRAECG-ARJAWSKDSA-N
MW224.10 g/mol
LogP3.81
Rot. Bonds2

About N-[4-bromo-2-[(Z)-prop-1-enyl]phenyl]methanimine

N-[4-bromo-2-[(Z)-prop-1-enyl]phenyl]methanimine (PubChem CID 135128411) has the molecular formula C10H10BrN and a molecular weight of 224.10 g/mol. Its IUPAC name is N-[4-bromo-2-[(Z)-prop-1-enyl]phenyl]methanimine.

Molecular Properties

Compound NameN-[4-bromo-2-[(Z)-prop-1-enyl]phenyl]methanimine
PubChem CID135128411
Molecular FormulaC10H10BrN
Molecular Weight224.10 g/mol
Exact Mass223.00
IUPAC NameN-[4-bromo-2-[(Z)-prop-1-enyl]phenyl]methanimine
SMILESC=Nc1ccc(Br)cc1/C=C\C
InChIInChI=1S/C10H10BrN/c1-3-4-8-7-9(11)5-6-10(8)12-2/h3-7H,2H2,1H3/b4-3-
InChIKeyBQGZPPGQHRAECG-ARJAWSKDSA-N
XLogP3.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-[(Z)-prop-1-enyl]phenyl]methanimine?
The IUPAC name of N-[4-bromo-2-[(Z)-prop-1-enyl]phenyl]methanimine (CID 135128411) is N-[4-bromo-2-[(Z)-prop-1-enyl]phenyl]methanimine.
What is the SMILES notation for N-[4-bromo-2-[(Z)-prop-1-enyl]phenyl]methanimine?
The canonical SMILES for N-[4-bromo-2-[(Z)-prop-1-enyl]phenyl]methanimine is C=Nc1ccc(Br)cc1/C=C\C.
What is the InChIKey of N-[4-bromo-2-[(Z)-prop-1-enyl]phenyl]methanimine?
The InChIKey is BQGZPPGQHRAECG-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H10BrN/c1-3-4-8-7-9(11)5-6-10(8)12-2/h3-7H,2H2,1H3/b4-3-.
What are the key properties of N-[4-bromo-2-[(Z)-prop-1-enyl]phenyl]methanimine?
N-[4-bromo-2-[(Z)-prop-1-enyl]phenyl]methanimine has a molecular weight of 224.10 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-[(Z)-prop-1-enyl]phenyl]methanimine is sourced from PubChem (CID 135128411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).